N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(4-piperidinosulfonylbenzyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H22N4O3S3/c25-18(13-29-20-17-8-11-28-19(17)22-14-23-20)21-12-15-4-6-16(7-5-15)30(26,27)24-9-2-1-3-10-24/h4-8,11,14H,1-3,9-10,12-13H2,(H,21,25)